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Ligand

NameAC1MLIHO
Molecular formulaC14H18Cl2N2O4S
IUPAC name[3-methyl-1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
Molecular weight381.268
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
Synonyms4,5-Dichloro-isothiazole-3-carboxylic acid 2-methyl-1-[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-propyl ester
AKOS000738924
ASN 06396792
CHEMBL1581023
MLS001193140
[ Show all ]
Inchi KeyCCZMFGXGYJBMLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H18Cl2N2O4S/c1-7(2)11(13(19)17-6-8-4-3-5-21-8)22-14(20)10-9(15)12(16)23-18-10/h7-8,11H,3-6H2,1-2H3,(H,17,19)
PubChem CID3220371
ChEMBLCHEMBL1581023
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
467726Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
39082Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
39081Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
39080Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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